2,3-dichloro-N-(cyclohexylmethyl)prop-2-en-1-amine

C10H17Cl2N — CID 79167727

IUPAC2,3-dichloro-N-(cyclohexylmethyl)prop-2-en-1-amine
SMILESClC=C(Cl)CNCC1CCCCC1
InChIInChI=1S/C10H17Cl2N/c11-6-10(12)8-13-7-9-4-2-1-3-5-9/h6,9,13H,1-5,7-8H2
InChIKeyHUYCDHLLQSVOOT-UHFFFAOYSA-N
MW222.16 g/mol
LogP3.48
Rot. Bonds4

About 2,3-dichloro-N-(cyclohexylmethyl)prop-2-en-1-amine

2,3-dichloro-N-(cyclohexylmethyl)prop-2-en-1-amine (PubChem CID 79167727) has the molecular formula C10H17Cl2N and a molecular weight of 222.16 g/mol. Its IUPAC name is 2,3-dichloro-N-(cyclohexylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2,3-dichloro-N-(cyclohexylmethyl)prop-2-en-1-amine
PubChem CID79167727
Molecular FormulaC10H17Cl2N
Molecular Weight222.16 g/mol
Exact Mass221.07
IUPAC Name2,3-dichloro-N-(cyclohexylmethyl)prop-2-en-1-amine
SMILESClC=C(Cl)CNCC1CCCCC1
InChIInChI=1S/C10H17Cl2N/c11-6-10(12)8-13-7-9-4-2-1-3-5-9/h6,9,13H,1-5,7-8H2
InChIKeyHUYCDHLLQSVOOT-UHFFFAOYSA-N
XLogP3.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.16
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(cyclohexylmethyl)prop-2-en-1-amine?
The IUPAC name of 2,3-dichloro-N-(cyclohexylmethyl)prop-2-en-1-amine (CID 79167727) is 2,3-dichloro-N-(cyclohexylmethyl)prop-2-en-1-amine.
What is the SMILES notation for 2,3-dichloro-N-(cyclohexylmethyl)prop-2-en-1-amine?
The canonical SMILES for 2,3-dichloro-N-(cyclohexylmethyl)prop-2-en-1-amine is ClC=C(Cl)CNCC1CCCCC1.
What is the InChIKey of 2,3-dichloro-N-(cyclohexylmethyl)prop-2-en-1-amine?
The InChIKey is HUYCDHLLQSVOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Cl2N/c11-6-10(12)8-13-7-9-4-2-1-3-5-9/h6,9,13H,1-5,7-8H2.
What are the key properties of 2,3-dichloro-N-(cyclohexylmethyl)prop-2-en-1-amine?
2,3-dichloro-N-(cyclohexylmethyl)prop-2-en-1-amine has a molecular weight of 222.16 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-(cyclohexylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 79167727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).